General Information of the Compound
| Compound ID |
CP0458290
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| Compound Name |
N-methyl-N-[2-[5-(trifluoromethyl)-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-dihydroisoindol-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C22H19F6N5O2S
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| Molecular Weight |
531.482
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| Canonical SMILES |
CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)C(F)(F)F)ncc1C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H19F6N5O2S/c1-32(36(2,34)35)18-5-3-4-13-11-33(12-16(13)18)19-17(22(26,27)28)10-29-20(31-19)30-15-8-6-14(7-9-15)21(23,24)25/h3-10H,11-12H2,1-2H3,(H,29,30,31)
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| InChIKey |
UHMYZGMHPYIWGW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound